![(4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one structure](/static/products/7086/70869-60-2.webp)
(4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one
TL;DR: (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one (CAS 70869-60-2) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-yl-1,3,3a,4,5,7a-hexahydroinden-2-one
Also Known As: (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one, 5-butan-2-yl-1,3,3a,4,5,7a-hexahydroinden-2-one, 5-Sec-butyl-1,3,3a,4,5,7a-hexahydro-2H-inden-2-one, 5-Sec-butyl-1,3,3a,4,5,7a-hexahydro-2H-inden-2-one #, 5-(Butan-2-yl)-1,3,3a,4,5,7a-hexahydro-2H-inden-2-one
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 70869-60-2 |
|---|---|
| SMILES | CCC(C)C1CC2CC(=O)CC2C=C1 |
| InChIKey | KQCYDOGZKYOUQW-UHFFFAOYSA-N |
Product Overview
(4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one (CAS 70869-60-2), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 5-butan-2-yl-1,3,3a,4,5,7a-hexahydroinden-2-one.
Chemical Property Profile of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one
Property Insights of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one
The XLogP value of 3.1 indicates that (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one?
The CAS number of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one is 70869-60-2.
What is the molecular formula of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one?
The molecular formula of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one is C13H20O.
What is the molecular weight of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one?
The molecular weight of (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one is 192.15 g/mol.
Where can I buy (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one?
You can request a quote for (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one?
Yes, KEHONG BIO provides custom synthesis services for (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.